2,2-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboxamide

C12H22F3N3OS — CID 75377523

IUPAC2,2-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboxamide
SMILESCN(CCNC(=O)N1CCSC(C)(C)C1)CC(F)(F)F
InChIInChI=1S/C12H22F3N3OS/c1-11(2)8-18(6-7-20-11)10(19)16-4-5-17(3)9-12(13,14)15/h4-9H2,1-3H3,(H,16,19)
InChIKeyLNLSIFQRRKDQIH-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.02
Rot. Bonds4

About 2,2-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboxamide

2,2-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboxamide (PubChem CID 75377523) has the molecular formula C12H22F3N3OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboxamide
PubChem CID75377523
Molecular FormulaC12H22F3N3OS
Molecular Weight313.39 g/mol
Exact Mass313.14
IUPAC Name2,2-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboxamide
SMILESCN(CCNC(=O)N1CCSC(C)(C)C1)CC(F)(F)F
InChIInChI=1S/C12H22F3N3OS/c1-11(2)8-18(6-7-20-11)10(19)16-4-5-17(3)9-12(13,14)15/h4-9H2,1-3H3,(H,16,19)
InChIKeyLNLSIFQRRKDQIH-UHFFFAOYSA-N
XLogP2.02
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboxamide?
The IUPAC name of 2,2-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboxamide (CID 75377523) is 2,2-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboxamide is CN(CCNC(=O)N1CCSC(C)(C)C1)CC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboxamide?
The InChIKey is LNLSIFQRRKDQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3OS/c1-11(2)8-18(6-7-20-11)10(19)16-4-5-17(3)9-12(13,14)15/h4-9H2,1-3H3,(H,16,19).
What are the key properties of 2,2-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboxamide?
2,2-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 75377523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).